CID 516376

4(5h)-thiazolone, 2-amino-5-(1h-indol-3-ylmethyl)-

Structural Information

Molecular Formula
C12H11N3OS
SMILES
C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N=C(S3)N
InChI
InChI=1S/C12H11N3OS/c13-12-15-11(16)10(17-12)5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,10,14H,5H2,(H2,13,15,16)
InChIKey
NSVOZCAFYSKQGF-UHFFFAOYSA-N
Compound name
2-amino-5-(1H-indol-3-ylmethyl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.06229 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06957 151.8
[M+Na]+ 268.05151 163.3
[M-H]- 244.05501 156.9
[M+NH4]+ 263.09611 171.3
[M+K]+ 284.02545 157.6
[M+H-H2O]+ 228.05955 145.7
[M+HCOO]- 290.06049 170.4
[M+CH3COO]- 304.07614 164.8
[M+Na-2H]- 266.03696 152.9
[M]+ 245.06174 153.1
[M]- 245.06284 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.